SCHEMBL13093192

SCHEMBL13093192

C=C(C)N(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3Sc3nccs3)cccc12

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12711469 0.92 BDKRB2 (0.51) BDKRB2
SCHEMBL13093191 0.91 BDKRB2 (0.50) BDKRB2
SCHEMBL12711742 0.89 BDKRB2 (0.63) BDKRB2
SCHEMBL12711740 0.88 BDKRB2 (0.55) BDKRB2
SCHEMBL13145306 0.84 BDKRB2 (0.68) BDKRB2
SCHEMBL13145441 0.81 BDKRB2 (0.72) BDKRB2
SCHEMBL12711822 0.81 BDKRB2 (0.47) BDKRB2
SCHEMBL14038586 0.80 BDKRB2 (0.51) BDKRB2
SCHEMBL1564015 0.80 BDKRB2 (0.70) BDKRB2
SCHEMBL12711463 0.79 BDKRB2 (0.62) BDKRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP disclosed